Table mix-ins: ['Structure']
Extra columns: ['energy_above_hull']
Base Information:
- Database Entry ID: jvasp-49778
- Created at: Sept. 4, 2022, 2:38 p.m.
- Last updated at: Sept. 4, 2022, 2:38 p.m.
- Input Source: JARVIS
Structure:
- Number of sites: 22
- Number of elements: 3
- Element list: ['Ba', 'O', 'F']
- Chemical System: Ba-F-O
- Density: 4.652678061809916
- Atomic Density: 0.045371837739815166
- Unit Cell Volume: 484.8822771111678
- Molar Volume: 13.272860567239904
- Full Formula: Ba8 O2 F12
- Reduced Formula: Ba4OF6
- Formula Anonymous: AB4C6
- Spacegroup Number: 137
- Spacegroup Symbol: P4_2/nmc
- Crystal System: tetragonal
- Pointgroup: 4/mmm
